4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H27N3O4S/c1-3-10-21(26(2,23)24)17-7-5-16(6-8-17)18(22)19-9-4-11-20-12-14-25-15-13-20/h3,5-8H,1,4,9-15H2,2H3,(H,19,22)/p+1